quantumespresso:respack
Differences
This shows you the differences between two versions of the page.
| Both sides previous revision Previous revision | Next revision Both sides next revision | ||
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quantumespresso:respack [2020/07/29 19:04] koudai [概要] |
quantumespresso:respack [2020/07/31 19:12] koudai [インプットファイル] |
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| Line 88: | Line 88: | ||
| py 0.2d0 0.0d0 0.0d0 0.0d0 !n: py | py 0.2d0 0.0d0 0.0d0 0.0d0 !n: py | ||
| pz 0.2d0 0.0d0 0.0d0 0.0d0 !n: pz | pz 0.2d0 0.0d0 0.0d0 0.0d0 !n: pz | ||
| - | dxy 0.2d0 0.0d0 0.0d0 0.0d0 !n: dx | ||
| - | dyz 0.2d0 0.0d0 0.0d0 0.0d0 !n: dyz | ||
| dz2 0.2d0 0.0d0 0.0d0 0.0d0 !n: dz2 | dz2 0.2d0 0.0d0 0.0d0 0.0d0 !n: dz2 | ||
| dzx 0.2d0 0.0d0 0.0d0 0.0d0 !n: dzx | dzx 0.2d0 0.0d0 0.0d0 0.0d0 !n: dzx | ||
| - | dx2 0.2d0 0.0d0 0.0d0 0.0d0 !n: dx2-y2 | + | |
| + | | ||
| + | dxy 0.2d0 0.0d0 0.0d0 0.0d0 !n: dx | ||
| & | & | ||
| N_sym_points =5, !n: 計算ラインを構成する対称 k 点数 | N_sym_points =5, !n: 計算ラインを構成する対称 k 点数 | ||
quantumespresso/respack.txt · Last modified: 2024/02/03 18:42 by koudai
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